methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate

C13H12BrNO3S2 — CID 1244132

IUPACmethyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2cc(Br)cs2)s1
InChIInChI=1S/C13H12BrNO3S2/c1-3-8-5-9(13(17)18-2)12(20-8)15-11(16)10-4-7(14)6-19-10/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyYQTMWTXOXSAWJH-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.17
Rot. Bonds4

About methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate

methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 1244132) has the molecular formula C13H12BrNO3S2 and a molecular weight of 374.28 g/mol. Its IUPAC name is methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID1244132
Molecular FormulaC13H12BrNO3S2
Molecular Weight374.28 g/mol
Exact Mass372.94
IUPAC Namemethyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2cc(Br)cs2)s1
InChIInChI=1S/C13H12BrNO3S2/c1-3-8-5-9(13(17)18-2)12(20-8)15-11(16)10-4-7(14)6-19-10/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyYQTMWTXOXSAWJH-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 17173919
methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
ethyl 2-[(4-bromothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17020686
methyl 5-ethyl-2-(2-methoxyethylcarbamothioylamino)thiophene-3-carboxylate
CID 19652105
methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate
CID 4509907
methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874617
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 62788622
methyl 5-ethyl-2-[(4-fluorophenyl)carbamothioylamino]thiophene-3-carboxylate
CID 3296701
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 17282588
methyl 5-ethyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate
CID 17298672

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate (CID 1244132) is methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate is CCc1cc(C(=O)OC)c(NC(=O)c2cc(Br)cs2)s1.
What is the InChIKey of methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is YQTMWTXOXSAWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S2/c1-3-8-5-9(13(17)18-2)12(20-8)15-11(16)10-4-7(14)6-19-10/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 374.28 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 1244132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).